SCHEMBL7979566

SCHEMBL7979566

Cc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 4/20 0.43
HTT P42858 1/20 0.39
PPARD Q03181 4/20 0.35
CACNA1B Q00975 1/20 0.35
SCN9A Q15858 1/20 0.34
RHOC P08134 3/20 0.33
RHOA P61586 3/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8629077 0.97 SCN8A (0.40) SCN8AHTTPPARDCACNA1BSCN9A
SCHEMBL7979390 0.94 SCN8A (0.38) SCN8AHTTPPARDCACNA1BSCN9A
SCHEMBL7977675 0.92 HTT (0.38) SCN8AHTTPPARDCACNA1BSCN9A
SCHEMBL7976122 0.91 HTT (0.36) SCN8AHTTPPARDCACNA1BSCN9A
SCHEMBL7979320 0.89 HTT (0.37) SCN8AHTTPPARDCACNA1BSCN9A
SCHEMBL8408424 0.88 HTT (0.38) SCN8AHTTCACNA1BSCN9ARHOC
SCHEMBL7979247 0.88 HTT (0.38) SCN8AHTTCACNA1BSCN9ARHOC
SCHEMBL7976269 0.87 HTT (0.40) SCN8AHTTPPARDCACNA1BSCN9A
SCHEMBL7979570 0.85 RHOC (0.47) SCN8APPARDRHOCRHOAMAPT
SCHEMBL8659999 0.85 HTT (0.37) SCN8AHTTPPARDCACNA1BSCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed